HRID960663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

HCID57899227

未命名化合物

HCID57899252

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCc2cnn3ccccc23)C(c2ccc(Br)cc2)C1

HCID57899247

Pyrazolo[1,5-a]pyridine, 3-[2-[2-(4-bromophenyl)-4-methyl-1-piperazinyl]ethyl]-

C20H23BrN4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68b4133846484c2a937fa23ac3fca6d0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][N:10]([CH3:14])[CH2:11][CH2:12][NH:13]2)[cH:6][cH:7]1.[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:27][C:28](=[O:29])[OH:30].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[n:15]1[cH:16][c:17]([CH2:24][CH:25]=[O:26])[c:18]2[n:19]1[cH:20][cH:21][cH:22][cH:23]2>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][N:10]([CH3:14])[CH2:11][CH2:12][N:13]2[CH2:25][CH2:24][c:17]2[cH:16][n:15][n:19]3[c:18]2[cH:23][cH:22][cH:21][cH:20]3)[cH:6][cH:7]1